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8IRH
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BU of 8irh by Molmil
XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 200-microsecond delay
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IRB
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BU of 8irb by Molmil
XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 5-millisecond delay
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IR9
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BU of 8ir9 by Molmil
XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 30-microsecond delay
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IRC
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BU of 8irc by Molmil
XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 5-millisecond delay (Single conformation)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IRE
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BU of 8ire by Molmil
XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 200-nanosecond delay
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IR5
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BU of 8ir5 by Molmil
XFEL structure of cyanobacterial photosystem II under dark conditions
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IRF
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BU of 8irf by Molmil
XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 1-microsecond delay
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
8IR8
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BU of 8ir8 by Molmil
XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 1-microsecond delay
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
7L6N
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BU of 7l6n by Molmil
The Mycobacterium tuberculosis ClpB disaggregase hexamer structure with three locally refined ClpB middle domains and three DnaK nucleotide binding domains
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, Chaperone protein DnaK, ...
著者Yin, Y.Y, Feng, X, Li, H.
登録日2020-12-23
公開日2021-05-26
最終更新日2021-12-08
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Structural basis for aggregate dissolution and refolding by the Mycobacterium tuberculosis ClpB-DnaK bi-chaperone system.
Cell Rep, 35, 2021
7MPI
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BU of 7mpi by Molmil
Stm1 bound vacant 80S structure isolated from cbf5-D95A
分子名称: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
著者Rai, J, Zhao, Y, Li, H.
登録日2021-05-04
公開日2022-05-11
最終更新日2022-07-20
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献CryoEM structures of pseudouridine-free ribosome suggest impacts of chemical modifications on ribosome conformations.
Structure, 30, 2022
7LM2
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BU of 7lm2 by Molmil
HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 3C
分子名称: 1,2-ETHANEDIOL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ...
著者Lesburg, C.A, Augustin, M.
登録日2021-02-05
公開日2021-04-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Projected Dose Optimization of Amino- and Hydroxypyrrolidine Purine PI3K delta Immunomodulators.
J.Med.Chem., 64, 2021
8IVA
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BU of 8iva by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs XMA01 and 3E2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ...
著者Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
登録日2023-03-26
公開日2023-08-16
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8IV4
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BU of 8iv4 by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 3E2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ...
著者Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
登録日2023-03-26
公開日2023-08-16
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8IV8
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BU of 8iv8 by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 3E2 and 1C4 (local refinement)
分子名称: Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ...
著者Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
登録日2023-03-26
公開日2023-08-16
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.92 Å)
主引用文献Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8IV5
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BU of 8iv5 by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 1C4 (local refinement)
分子名称: Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ...
著者Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
登録日2023-03-26
公開日2023-08-16
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
5JA5
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BU of 5ja5 by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) L111A and L130A mutant in complex with rice D53 repressor EAR peptide motif
分子名称: Protein TPR1, The rice D53 peptide (a.a. 794-808), ZINC ION
著者Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
登録日2016-04-12
公開日2017-07-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex.
Sci Adv, 3, 2017
5JHP
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BU of 5jhp by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) L179A and I195A mutant in complex with rice D53 repressor EAR peptide motif
分子名称: Protein TPR1, The rice D53 EAR peptide (794-808)
著者Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
登録日2016-04-21
公開日2017-07-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex.
Sci Adv, 3, 2017
5J9K
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BU of 5j9k by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) in complex with rice D53 repressor EAR peptide motif
分子名称: Protein TPR1, ZINC ION, rice D53 peptide 794-808
著者Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
登録日2016-04-10
公開日2017-07-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex.
Sci Adv, 3, 2017
7YAW
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BU of 7yaw by Molmil
Crystal structure of ZAK in complex with compound YH-180
分子名称: Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[3-[[5-[1-[2,6-bis(fluoranyl)-3-[(3-phenylphenyl)sulfonylamino]phenyl]-1,2,3-triazol-4-yl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]oxy]propyl]propanamide
著者Kong, L.L, Yun, C.H.
登録日2022-06-28
公開日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov).
J.Med.Chem., 66, 2023
7YAZ
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BU of 7yaz by Molmil
Crystal structure of ZAK in complex with compound YH-186
分子名称: Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[2,4-bis(fluoranyl)-3-[4-[3-[(3~{S})-1-propanoylpyrrolidin-3-yl]oxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl]-1,2,3-triazol-1-yl]phenyl]-3-phenyl-benzenesulfonamide
著者Kong, L.L, Yun, C.H.
登録日2022-06-28
公開日2023-08-09
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov).
J.Med.Chem., 66, 2023
7XOE
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BU of 7xoe by Molmil
Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Prefusion state)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,peptide
著者Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J.
登録日2022-05-01
公開日2024-02-14
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants.
Sci Bull (Beijing), 68, 2023
7XOG
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BU of 7xog by Molmil
Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Postfusion state)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,peptide, ...
著者Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J.
登録日2022-05-01
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants.
Sci Bull (Beijing), 68, 2023
5WO4
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BU of 5wo4 by Molmil
JAK1 complexed with compound 28
分子名称: 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
著者Lesburg, C.A, Patel, S.B.
登録日2017-08-01
公開日2017-12-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties.
J. Med. Chem., 60, 2017
8E81
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BU of 8e81 by Molmil
Structure of LRRK2-CHK1 10-pt. mutant complex with heteroaryl-1H-indazole LRRK2 inhibitor 25
分子名称: (1S)-1-[(1P)-1-{6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl}-1H-indazol-6-yl]spiro[2.2]pentane-1-carbonitrile, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2022-08-25
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1 H -Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson's Disease.
J.Med.Chem., 65, 2022
8E80
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BU of 8e80 by Molmil
Structure of LRRK2-CHK1 10-pt. mutant complex with heteroaryl-1H-indazole LRRK2 inhibitor 14
分子名称: 2-[(1r,4r)-2-{(6P)-6-[(6M)-6-(1H-pyrazol-5-yl)-1H-indazol-1-yl]pyrimidin-4-yl}-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2022-08-25
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1 H -Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson's Disease.
J.Med.Chem., 65, 2022

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件を2024-05-22に公開中

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